CID 57829225

6-bromo-2,2-dimethyl-2h-benzo[b][1,4]oxazin-3(4h)-one

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

CC1(C(=O)NC2=C(O1)C=CC(=C2)Br)C

InChI

InChI=1S/C10H10BrNO2/c1-10(2)9(13)12-7-5-6(11)3-4-8(7)14-10/h3-5H,1-2H3,(H,12,13)

InChIKey

CHVWBFMSOWQLGJ-UHFFFAOYSA-N

Compound name

6-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 254.98949 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.996766	145.0
[M+Na]+	277.978708	157.7
[M-H]-	253.982214	150.7
[M+NH4]+	273.023313	165.9
[M+K]+	293.952648	147.4
[M+H-H2O]+	237.986750	145.7
[M+HCOO]-	299.987691	161.0
[M+CH3COO]-	314.003341	188.9
[M+Na-2H]-	275.964156	154.2
[M]+	254.98894142	163.1
[M]-	254.99003858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe